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Sub-picosecond photo-induced displacive phase transition in two-dimensional MoTe2

Published version
Peer-reviewed

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Abstract

jats:titleAbstract</jats:title>jats:pPhoto-induced phase transitions (PIPTs) provide an ultrafast, energy-efficient way for precisely manipulating the topological properties of transition-metal ditellurides and can be used to stabilize a topological phase in an otherwise semiconducting material. Using first-principles calculations, we demonstrate that the PIPT in monolayer MoTejats:sub2</jats:sub> from the semiconducting 2H phase to the topological 1T′ phase can be triggered purely by electronic excitations that soften multiple lattice vibrational modes. These softenings, driven by a Peierls-like mechanism within the conduction bands, lead to structural symmetry breaking within sub-picosecond timescales, which is shorter than the timescale of a thermally driven phase transition. The transition is predicted to be triggered by photons with energies over 1.96 eV, with an associated excited carrier density of 3.4 × 10jats:sup14</jats:sup> cmjats:sup−2</jats:sup>, which enables a controllable phase transformation by varying the laser wavelength. Our results provide insight into the underlying physics of the phase transition in 2D transition-metal ditellurides and show an ultrafast phase-transition mechanism for manipulation of the topological properties of 2D systems.</jats:p>

Description

Keywords

40 Engineering, 4016 Materials Engineering, 4009 Electronics, Sensors and Digital Hardware, 7 Affordable and Clean Energy

Journal Title

npj 2D Materials and Applications

Conference Name

Journal ISSN

2397-7132
2397-7132

Volume Title

4

Publisher

Springer Science and Business Media LLC
Sponsorship
National Natural Science Foundation of China (National Science Foundation of China) (11374063)